7489-2080 Screening compound: 2,4-diethyl 3-methyl-5-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]thiophene-2,4-dicarboxylate

7489-2080 Screening compound: 2,4-diethyl 3-methyl-5-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]thiophene-2,4-dicarboxylate
7489-2080 Screening compound: 2,4-diethyl 3-methyl-5-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-2080
2,4-diethyl 3-methyl-5-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]thiophene-2,4-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7489-2080

Molecular Formula

C21H22N2O7S (C21 H22 N2 O7 S)

Compound Name

2,4-diethyl 3-methyl-5-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-[3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanamido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CCN(c(cccc2)c2O2)C2=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H22N2O7S/c1-4-28-19(25)16-12(3)17(20(26)29-5-2)31-18(16)22-15(24)10-11-23-13-8-6-7-9-14(13)30-21(23)27/h6-9H,4-5,10-11H2,1-3H3,(H,22,24)

InChI Key

SHPZVUJHTIPTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06625409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

0.447

Water Solubility, LogSw

-3.69

Polar Surface Area

87.496

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7489-2080 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7489-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2080?
Check Price and Availability of 7489-2080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7489-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2080
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7489-2080 available by request